9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole

C54H34N2 — CID 134378390

IUPAC9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8c8ccccc8c7c6)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C54H34N2/c1-3-13-39(14-4-1)55-51-22-12-11-21-46(51)48-32-36(24-28-52(48)55)38-26-30-54-50(34-38)49-33-37(25-29-53(49)56(54)40-15-5-2-6-16-40)35-23-27-45-43-19-8-7-17-41(43)42-18-9-10-20-44(42)47(45)31-35/h1-34H
InChIKeyDQPWPVUQLOOZAN-UHFFFAOYSA-N
MW710.88 g/mol
LogP14.67
Rot. Bonds4

About 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole

9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole (PubChem CID 134378390) has the molecular formula C54H34N2 and a molecular weight of 710.88 g/mol. Its IUPAC name is 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole.

Molecular Properties

Compound Name9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
PubChem CID134378390
Molecular FormulaC54H34N2
Molecular Weight710.88 g/mol
Exact Mass710.27
IUPAC Name9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8c8ccccc8c7c6)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C54H34N2/c1-3-13-39(14-4-1)55-51-22-12-11-21-46(51)48-32-36(24-28-52(48)55)38-26-30-54-50(34-38)49-33-37(25-29-53(49)56(54)40-15-5-2-6-16-40)35-23-27-45-43-19-8-7-17-41(43)42-18-9-10-20-44(42)47(45)31-35/h1-34H
InChIKeyDQPWPVUQLOOZAN-UHFFFAOYSA-N
XLogP14.67
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.88
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 89417795
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole?
The IUPAC name of 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole (CID 134378390) is 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole.
What is the SMILES notation for 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole?
The canonical SMILES for 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8c8ccccc8c7c6)ccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole?
The InChIKey is DQPWPVUQLOOZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2/c1-3-13-39(14-4-1)55-51-22-12-11-21-46(51)48-32-36(24-28-52(48)55)38-26-30-54-50(34-38)49-33-37(25-29-53(49)56(54)40-15-5-2-6-16-40)35-23-27-45-43-19-8-7-17-41(43)42-18-9-10-20-44(42)47(45)31-35/h1-34H.
What are the key properties of 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole?
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole has a molecular weight of 710.88 g/mol, XLogP of 14.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole is sourced from PubChem (CID 134378390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).